SCHEMBL28298722

SCHEMBL28298722

C=CC(=O)Oc1cc(CC(C)c2ccc(C)c(OC(=O)C=C)c2OCC)c(OCC)c(OCC)c1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
ACACB O00763 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6424052 0.80 THRB (0.38) THRBTHRAACACB
SCHEMBL27445927 0.77 THRB (0.43) THRBTHRA
SCHEMBL27562817 0.76 THRB (0.38) THRBTHRA
SCHEMBL28022618 0.76 THRB (0.33) THRBTHRA
SCHEMBL28060385 0.75 THRB (0.38) THRBTHRAACACB
SCHEMBL27972929 0.74 THRB (0.35) THRBTHRA
SCHEMBL27718527 0.73 THRB (0.48) THRBTHRA
SCHEMBL2154420 0.72 THRB (0.42) THRBTHRA
SCHEMBL27766340 0.71 THRB (0.36) THRBTHRA
SCHEMBL27990349 0.70 THRB (0.40) THRBTHRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803989-A Optical stereo moulding composition 可乐丽则武齿科株式会社 2019-05-24 CN disclosed